5,6-dimethyl-2,3-dihydro-1,4-oxathiine 4-oxide

C6H10O2S — CID 15073790

IUPAC5,6-dimethyl-2,3-dihydro-1,4-oxathiine 4-oxide
SMILESCC1=C(C)S(=O)CCO1
InChIInChI=1S/C6H10O2S/c1-5-6(2)9(7)4-3-8-5/h3-4H2,1-2H3
InChIKeyBFJGJZIYHGNLLL-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.02
Rot. Bonds

About 5,6-dimethyl-2,3-dihydro-1,4-oxathiine 4-oxide

5,6-dimethyl-2,3-dihydro-1,4-oxathiine 4-oxide (PubChem CID 15073790) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 5,6-dimethyl-2,3-dihydro-1,4-oxathiine 4-oxide.

Molecular Properties

Compound Name5,6-dimethyl-2,3-dihydro-1,4-oxathiine 4-oxide
PubChem CID15073790
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name5,6-dimethyl-2,3-dihydro-1,4-oxathiine 4-oxide
SMILESCC1=C(C)S(=O)CCO1
InChIInChI=1S/C6H10O2S/c1-5-6(2)9(7)4-3-8-5/h3-4H2,1-2H3
InChIKeyBFJGJZIYHGNLLL-UHFFFAOYSA-N
XLogP1.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2,3-dihydro-1,4-oxathiine 4-oxide?
The IUPAC name of 5,6-dimethyl-2,3-dihydro-1,4-oxathiine 4-oxide (CID 15073790) is 5,6-dimethyl-2,3-dihydro-1,4-oxathiine 4-oxide.
What is the SMILES notation for 5,6-dimethyl-2,3-dihydro-1,4-oxathiine 4-oxide?
The canonical SMILES for 5,6-dimethyl-2,3-dihydro-1,4-oxathiine 4-oxide is CC1=C(C)S(=O)CCO1.
What is the InChIKey of 5,6-dimethyl-2,3-dihydro-1,4-oxathiine 4-oxide?
The InChIKey is BFJGJZIYHGNLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-5-6(2)9(7)4-3-8-5/h3-4H2,1-2H3.
What are the key properties of 5,6-dimethyl-2,3-dihydro-1,4-oxathiine 4-oxide?
5,6-dimethyl-2,3-dihydro-1,4-oxathiine 4-oxide has a molecular weight of 146.21 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2,3-dihydro-1,4-oxathiine 4-oxide is sourced from PubChem (CID 15073790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).